9WN4

Crystal structure of W27-Fab in complex with an epitope peptide from cofactor-independent phosphoglycerate mutase (iPGM)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	60.437, 140.190, 186.013
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.660 - 2.800
R-factor	0.205
Rwork	0.203
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9wn2
RMSD bond length	0.002
RMSD bond angle	0.504
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.660	2.970
High resolution limit [Å]	2.800	2.800
Rmerge	0.087	0.641
Number of reflections	39768	6290
<I/σ(I)>	13.45	2.24
Completeness [%]	99.8	99.6
Redundancy	4.5	4.4
CC(1/2)	0.997	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.1 M Sodium Cacodylate pH6.5, 0.2 M Magnecium Acetate, 23% PEG10000, 20% Ethylene glycol